General Information of the Compound
| Compound ID |
CP0408312
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| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Hle]
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| Structure |
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| Formula |
C48H66N8O7
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| Molecular Weight |
867.105
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| Canonical SMILES |
CC(C)CC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
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| InChI |
InChI=1S/C48H66N8O7/c1-30(2)22-23-37-43(58)49-24-12-20-38(53-44(59)39(51-31(3)57)26-32-14-6-4-7-15-32)48(63)56-25-13-21-42(56)47(62)55-40(27-33-16-8-5-9-17-33)45(60)54-41(46(61)52-37)28-34-29-50-36-19-11-10-18-35(34)36/h4,6-7,10-11,14-15,18-19,29-30,33,37-42,50H,5,8-9,12-13,16-17,20-28H2,1-3H3,(H,49,58)(H,51,57)(H,52,61)(H,53,59)(H,54,60)(H,55,62)/t37-,38-,39-,40+,41-,42-/m0/s1
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| InChIKey |
LOZDPFBVQFEVJZ-PHHHQBPDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound